3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]cyclobut-2-en-1-one

Systemtic Name: 3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]cyclobut-2-en-1-one Openeye Name: 3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]cyclobut-2-en-1-one CAS Name: 3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]-1-cyclobut-2-enone IUPAC Name: 3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]cyclobut-2-en-1-one Traditional Name: 3-(butylamino)-2,4-bis[4-(diethylamino)phenyl]cyclobut-2-en-1-one Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C1C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCCCNC1=C(C(=O)C1C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C28H39N3O/c1-6-11-20-29-27-25(21-12-16-23(17-13-21)30(7-2)8-3)28(32)26(27)22-14-18-24(19-15-22)31(9-4)10-5/h12-19,25,29H,6-11,20H2,1-5H3